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Effect of the CH3 + O2 Reaction on the Kinetics of Autoignition of Hydrocarbons at High Temperatures

  • COMBUSTION, EXPLOSION, AND SHOCK WAVES
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Abstract

The effect of the reaction between methyl radical and molecular oxygen on autoignition of various carbohydrates at temperatures above 1300 K is studied using numerical simulation. Calculations using the detailed kinetic mechanism showed that the interaction between CH3 and O2 is essential for autoignition of methane and acetone, while having no significant effect for other hydrocarbons. The sensitivity to this channel of interaction between CH3 and O2 is found to weaken with temperature. Model calculations have shown that an increase in the number of components and reactions in the detailed kinetic mechanisms may weaken the effect of interaction between CH3 and O2.

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REFERENCES

  1. V. M. Zamanskii and A. A. Borisov, Itogi Nauki Tekh., Ser.: Kinet. Katal., 160 (1989).

  2. R. Zhu, C.-C. Hsu, and M. C. Lin, J. Chem. Phys. 115, 195 (2001).

    Article  CAS  Google Scholar 

  3. R. Zellner and F. Ewig, J. Phys. Chem. 92, 2971 (1988).

    Article  CAS  Google Scholar 

  4. D. Fernandez-Galisteo, A. L. Sanchez, A. Linan, and F. A. Williams, Combust. Theory Model. 13 (4), 74 (2009). http://web.eng.ucsd.edu/mae/groups/combustion/ mechanism.html

    Article  Google Scholar 

  5. C. K. Westbrook, W. J. Pitz, O. Herbinet, H. J. Curran, and E. J. Silke, Combust. Flame 156, 181 (2009).

    Article  CAS  Google Scholar 

  6. H. Wang, S. J. Warner, M. A. Oehlschlaeger, et al., Combust. Flame 157, 1976 (2010). http://ignis.usc.edu/ USC_Mech_II.htm.

    Article  CAS  Google Scholar 

  7. E. Ranzi, A. Frassoldati, R. Grana, et al., Progr. Energy Combust. Sci. 38, 468501 (2012). https://doi.org/10.1016/j.pecs.2012.03.004

    Article  CAS  Google Scholar 

  8. W. K. Metcalfe, S. M. Burke, S. S. Ahmed, and H. J. Curran, Int. J. Chem. Kinet. 45, 638 (2013). http://www.nuigalway.ie/c3/Mechanism_release/frontmatter.html

    Article  CAS  Google Scholar 

  9. F. Battin-Leclerc, V. Warth, R. Bounaceur, et al., in Proceedings of the 35th International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 2014), p. 349. https://hal.archives-ouvertes.fr/hal-00772058/ file/Supplemental_data_2.txt

    Google Scholar 

  10. V. N. Smirnov, A. M. Tereza, P. A. Vlasov, and I. V. Zhiltsova, Combust. Sci. Technol. 189, 854 (2017). http://old.chph.ras.ru/lab_0114.html

    Article  CAS  Google Scholar 

  11. Y. Tao, G. P. Smith, and H. Wang, Combust. Flame 195, 18 (2018). https://web.stanford.edu/group/haiwanglab/FFCM1/pages/FFCM1.html

    Article  CAS  Google Scholar 

  12. A. M. Tereza, S. P. Medvedev, and V. N. Smirnov, Acta Astronaut. (2019, in press).https://doi.org/10.1016/j.actaastro.2019.03.001

    Article  CAS  Google Scholar 

  13. D. B. Olson and W. C. Jr. Gardiner, Combust. Flame 32, 151 (1978).

    Article  CAS  Google Scholar 

  14. K. A. Bhaskaran, P. Frank, and Th. Just, in Proceedings of the International Symposium on Shock Waves (Magnes, Jerusalem, 1980), Vol. 12, p. 503.

  15. A. A. Borisov, E. V. Dragalova, V. M. Zamanskii, V. V. Lisyanskii, and G. I. Skachkov, Kinet. Katal. 22, 305 (1981).

    CAS  Google Scholar 

  16. K. Saito, R. Ito, T. Kakumoto, and A. Imamura, J. Phys. Chem. 90, 1422 (1986).

    Article  CAS  Google Scholar 

  17. M. A. Grela, V. T. Amorebieta, and A. J. Colussi, J. Phys. Chem. 96, 7013 (1992).

    Article  CAS  Google Scholar 

  18. C. L. Yu, C. Wang, and M. Frenklach, J. Phys. Chem. 99, 14377 (1995).

    Article  CAS  Google Scholar 

  19. N. K. Srinivasan, M. C. Su, and J. V. Michael, J. Phys. Chem. A 111, 11589 (2007).

    Article  CAS  PubMed  Google Scholar 

  20. S. M. Kogarko and A. A. Borisov, Izv. Akad. Nauk SSSR, Khim., No. 8, 1348 (1960).

  21. A. A. Borisov, S. M. Kogarko, and G. I. Skachkov, Nauch.-Tekh. Probl. Goreniya Vzryva, No. 1, 15 (1965).

    Google Scholar 

  22. A. A. Borisov, S. M. Kogarko, and A. V. Lyubimov, Zh. Prikl. Mekh. Tekh. Fiz., No. 3, 175 (1960).

  23. A. A. Borisov, I. S. Zaslonko, and S. M. Kogarko, Zh. Prikl. Mekh. Tekh. Fiz., No. 6, 104 (1964).

  24. A. A. Borisov, G. I. Skachkov, and K. Ya. Troshin, Khim. Fiz. 18 (9), 45 (1999).

    CAS  Google Scholar 

  25. M. A. Teitel’boim, I. B. Romanovich, and V. I. Vedeneev, Kinet. Katal. 19, 1399 (1978).

    Google Scholar 

  26. D. F. Davidson and R. K. Hanson, Shock Waves 19, 271 (2009). https://doi.org/10.1007/s00193-009-0203-0

    Article  Google Scholar 

  27. O. G. Divakov, A. V. Eremin, V. S. Ziborov, and V. E. Fortov, Dokl. Akad. Nauk. 373 (4), 487 (2000).

    CAS  Google Scholar 

  28. O. V. Skrebkov and S. P. Karkach, Kinet. Catal. 48, 367 (2007).

    Article  CAS  Google Scholar 

  29. B. E. Gel’fand, O. E. Popov, S. P. Medvedev, et al., Dokl. Akad. Nauk. 330 (4), 457 (1993).

    Google Scholar 

  30. D. A. Tropin, A. V. Fedorov, O. G. Penyazkov, and V. V. Leshchevich, Combust. Explos., Shock Waves 50, 632 (2014).

    Article  Google Scholar 

  31. G. L. Agafonov and A. M. Tereza, Russ. J. Phys. Chem. B 9, 92 (2015).

    Article  CAS  Google Scholar 

  32. S. P. Medvedev, G. L. Agafonov, and S. V. Khomik, Acta Astronaut. 126, 150 (2016).

    Article  CAS  Google Scholar 

  33. S. P. Medvedev, G. L. Agafonov, S. V. Khomik, and B. E. Gelfand, Combust. Flame 157, 1436 (2010).

    Article  Google Scholar 

  34. R. J. Kee, F. M. Rupley, E. Meeks, and J. A. Miller, CHEMKIN III: Tech. Rep. No. SAND96–8216 (Sandia Natl. Labor., Livermore, CA, 1996).

  35. A. Burcat, Report No. TAE-867 (Technion-Israel Inst. Technol., Tel-Aviv, 2001). http://garfield.chem.elte.hu/ Burcat/burcat.html

  36. V. G. Slutsky, O. D. Kazakov, E. S. Severin, et al., Combust. Flame 94, 108 (1993).

    Article  CAS  Google Scholar 

  37. V. Ya. Basevich, A. A. Belyaev, and C. M. Frolov, Khim. Fiz. 7 (9), 112 (1998).

    Google Scholar 

  38. G. L. Agafonov, D. I. Mikhailov, V. N. Smirnov, A. M. Tereza, P. A. Vlasov, and I. V. Zhiltsova, Combust. Sci. Technol. 188, 1815 (2016).

    Article  CAS  Google Scholar 

  39. C. J. Aul, W. K. Metcalfe, S. M. Burke, et al., Combust. Flame 160, 1153 (2013).

    Article  CAS  Google Scholar 

  40. A. M. Tereza, N. V. Nazarova, V. N. Smirnov, et al., J. Phys.: Conf. Ser. 1147, 012043 (2019). https://doi.org/10.1088/1742-6596/1147/1/012043

    Article  CAS  Google Scholar 

  41. V. N. Smirnov, A. M. Tereza, P. A. Vlasov, et al., J. Phys.: Conf. Ser. 946, 012071 (2018).

    Google Scholar 

  42. P. A. Vlasov, T. S. Demidenko, V. N. Smirnov, A. M. Tereza, and E. V. Atkin, Russ. J. Phys. Chem. B 10, 983 (2016).

    Article  CAS  Google Scholar 

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Funding

This study was conducted under the Program of Basic Research of the Russian Academy of Sciences for 2013–2020 on the topic of the Institute of Chemical Physics, Russian Academy of Sciences, no. 49.23 (state registration number at Center of Information Technologies and Systems for Executive Authorities (TSITIS) AAAA-A18-118031590088-8).

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Authors and Affiliations

  1. Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russia

    A. M. Tereza & E. K. Anderzhanov

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  1. A. M. Tereza
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  2. E. K. Anderzhanov
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Correspondence to A. M. Tereza.

Additional information

In memoriam A.A. Borisov

Translated by D. Terpilovskaya

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Tereza, A.M., Anderzhanov, E.K. Effect of the CH3 + O2 Reaction on the Kinetics of Autoignition of Hydrocarbons at High Temperatures. Russ. J. Phys. Chem. B 13, 626–631 (2019). https://doi.org/10.1134/S1990793119040262

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  • DOI: https://doi.org/10.1134/S1990793119040262

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